methyl 2-[3-(4-carbamimidoylphenyl)-1,2-oxazol-5-yl]ethanoate

Systemtic Name: methyl 2-[3-(4-carbamimidoylphenyl)-1,2-oxazol-5-yl]ethanoate Openeye Name: methyl 2-[3-(4-carbamimidoylphenyl)isoxazol-5-yl]acetate CAS Name: 2-[3-(4-carbamimidoylphenyl)-5-isoxazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-(4-carbamimidoylphenyl)-1,2-oxazol-5-yl]acetate Traditional Name: 2-[3-(4-amidinophenyl)isoxazol-5-yl]acetic acid methyl ester Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=NO1)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

COC(=O)CC1=CC(=NO1)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C13H13N3O3/c1-18-12(17)7-10-6-11(16-19-10)8-2-4-9(5-3-8)13(14)15/h2-6H,7H2,1H3,(H3,14,15)